2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide

C6H8F3NO — CID 18970244

IUPAC2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(2)3-10-5(11)6(7,8)9/h1,3H2,2H3,(H,10,11)
InChIKeyLGMXXIGVJWOKRF-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide

2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide (PubChem CID 18970244) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
PubChem CID18970244
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(2)3-10-5(11)6(7,8)9/h1,3H2,2H3,(H,10,11)
InChIKeyLGMXXIGVJWOKRF-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide (CID 18970244) is 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is LGMXXIGVJWOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4(2)3-10-5(11)6(7,8)9/h1,3H2,2H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide?
2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 18970244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).